SCHEMBL6933532

SCHEMBL6933532

Nc1ccc(C=C(C(=O)C(F)(F)F)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 4/20 0.50
AKR1C2 P52895 3/20 0.44
AKR1C3 P42330 1/20 0.44
HPGD P15428 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
PTGS2 P35354 1/20 0.43
CES1 P23141 1/20 0.42
TRPA1 O75762 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP19A1 P11511 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL589209 0.89 AKR1C1 (0.63) AKR1C1AKR1C2AKR1C3HPGDMEN1
SCHEMBL6250582 0.81 CYP19A1 (0.53) AKR1C1AKR1C2AKR1C3HPGDMEN1
SCHEMBL6250579 0.81 CYP19A1 (0.53) AKR1C1AKR1C2AKR1C3HPGDMEN1
SCHEMBL14163953 0.81 AKR1C1 (0.71) AKR1C1AKR1C2AKR1C3HPGDMEN1
SCHEMBL11687187 0.77 CES2 (0.53) AKR1C1AKR1C2AKR1C3KMT2APTGS2
SCHEMBL11687191 0.77 CES2 (0.53) AKR1C1AKR1C2AKR1C3KMT2APTGS2
SCHEMBL7073967 0.76 AKR1C1 (0.42) AKR1C1AKR1C2AKR1C3HPGDMEN1
SCHEMBL9071833 0.75 AKR1C1 (0.75) AKR1C1AKR1C2AKR1C3HPGDMEN1
SCHEMBL7934875 0.74 AKR1C1 (0.62) AKR1C1AKR1C2AKR1C3MEN1KMT2A
Aminobenzoic Acid SCHEMBL28075743 0.73 AKR1C1 (0.71) AKR1C1AKR1C2AKR1C3HPGDMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0953150-B1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE EIDGENOESSISCHE TECH HOCHSCHULE ZUERICH (CH) 2003-01-15 EP claimed
US-6409909-B1 MULTIDIMENSIONAL SYSTEM FOR THE REAGENT-FREE, CONTINUOUS DETECTION OF A SUBSTANCE; AMPEROMETRY AND OPTICAL SENSORS; EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2002-06-25 US claimed
EP-0953150-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1999-11-03 EP claimed
WO-1998030892-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1998-07-16 WO claimed